CID 3075124

(z)-1-(2',6'-dichlorophenyl)-3-(alpha-methyl-beta-phenylethyl)aminomethylene-2-indolinone

Structural Information

Molecular Formula
C24H20Cl2N2O
SMILES
CC(CC1=CC=CC=C1)N=CC2=C(N(C3=CC=CC=C32)C4=C(C=CC=C4Cl)Cl)O
InChI
InChI=1S/C24H20Cl2N2O/c1-16(14-17-8-3-2-4-9-17)27-15-19-18-10-5-6-13-22(18)28(24(19)29)23-20(25)11-7-12-21(23)26/h2-13,15-16,29H,14H2,1H3
InChIKey
JKBFNVJFDXEBNJ-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-3-(1-phenylpropan-2-yliminomethyl)indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.09528 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.10256 202.5
[M+Na]+ 445.08450 213.0
[M-H]- 421.08800 211.4
[M+NH4]+ 440.12910 215.3
[M+K]+ 461.05844 203.5
[M+H-H2O]+ 405.09254 193.2
[M+HCOO]- 467.09348 215.7
[M+CH3COO]- 481.10913 212.3
[M+Na-2H]- 443.06995 202.7
[M]+ 422.09473 209.0
[M]- 422.09583 209.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.